Crystallography Open Database

Information card for entry 7707957

Preview

Coordinates	7707957.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nd2(BH3Ph2BH3)6
Formula	C72 H96 B12 Nd2 P6
Calculated formula	C72 H96 B12 Nd2 P6
Title of publication	Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.
Authors of publication	Fetrow, Taylor V.; Daly, Scott R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	33
Pages of publication	11472 - 11484
a	18.826 ± 0.003 Å
b	9.6646 ± 0.0017 Å
c	23.904 ± 0.004 Å
α	90°
β	109.675 ± 0.005°
γ	90°
Cell volume	4095.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1427
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268752 (current)	2021-09-06	cif/ Updating files of 7707952, 7707953, 7707954, 7707955, 7707956, 7707957, 7707958 Original log message: Adding full bibliography for 7707952--7707958.cif.	7707957.cif
267955	2021-08-05	cif/ Adding structures of 7707952, 7707953, 7707954, 7707955, 7707956, 7707957, 7707958 via cif-deposit CGI script.	7707957.cif